Information card for entry 7233153

Structure parameters

• Common name: 2,7-Bis-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)
• Chemical name: 2,7-Bis-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)
• Formula: C20 H14 N2 O4 S4
• Calculated formula: C20 H14 N2 O4 S4
• SMILES: s1c(nc2c1c1sc(nc1C1(OCCO1)C12OCCO1)c1sccc1)c1sccc1
• Title of publication: Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport
• Authors of publication: Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 1467 - 1481
• a: 7.4786 ± 0.0008 Å
• b: 21.309 ± 0.002 Å
• c: 12.5339 ± 0.0013 Å
• α: 90°
• β: 94.645 ± 0.002°
• γ: 90°
• Cell volume: 1990.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No